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Found 1 Document (1.343 seconds)

BMRB: 4159

1LSI

Solution Structure of LSIII, a Long Neurotoxin from the Venom of Laticauda semifasciata

Authors

Connolly, P.J., Stern, A.S., Hoch, J.C.

Assembly

Long Neurotoxin 1 (Component LSIII)

Entity

1. Long Neurotoxin 1 (Component LSIII) (polymer, Thiol state: all disulfide bound), 66 monomers, 7260.141 Da Detail

RECYLNPHDT QTCPSGQEIC YVKSWCNAWC SSRGKVLEFG CAATCPSVNT GTEIKCCSAD KCNTYP

Formula weight

7260.141 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS3:SG	1:CYS20:SG
2	disulfide	sing	0:CYS13:SG	1:CYS41:SG
3	disulfide	sing	0:CYS26:SG	1:CYS30:SG
4	disulfide	sing	0:CYS45:SG	1:CYS56:SG
5	disulfide	sing	0:CYS57:SG	1:CYS62:SG

Source organism

Laticauda semifasciata

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.0 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	93.0 % (346 of 372)	93.0 % (346 of 372)
Backbone	100.0 % (132 of 132)	100.0 % (132 of 132)
Sidechain	89.2 % (214 of 240)	89.2 % (214 of 240)
Aromatic	83.9 % (26 of 31)	83.9 % (26 of 31)
Methyl	95.8 % (23 of 24)	95.8 % (23 of 24)

1. Long Neurotoxin 1 (Component LSIII)

RECYLNPHDT QTCPSGQEIC YVKSWCNAWC SSRGKVLEFG CAATCPSVNT GTEIKCCSAD KCNTYP

Show sample condition

Sample

Temperature 298 (±1) K, pH 4.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Long Neurotoxin 1 (Component LSIII)			4 mM

Protein Blocks Logo

Calculated from 23 models in PDB: 1LSI, Strand ID: A Detail

Release date

2000-03-01

Citation 1

Solution structure of LSIII, a long neurotoxin from the venom of Laticauda semifasciata
Connolly, P.J., Stern, A.S., Hoch, J.C.
Biochemistry (1996), 35, 418-426, PubMed 8555211 , DOI 10.1021/bi9520287 , Abstract

Show more 2 citaions

Citation 2

Efficient analysis of protein 2D NMR spectra using the software package EASY
Eccles, C., Guntert, P., Billeter, M., Wutrich, K.
J. Biomol. NMR (1991), 1, 111-130, PubMed 1726780 , DOI: , Abstract

Citation 3

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 2 citaions

Related entities 1. Long Neurotoxin 1 (Component LSIII), : 1 : 1 : 197 entities Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4159_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:CYS:SG	1:20:CYS:SG	unknown	unknown	n/a
1:13:CYS:SG	1:41:CYS:SG	unknown	unknown	n/a
1:26:CYS:SG	1:30:CYS:SG	unknown	unknown	n/a
1:45:CYS:SG	1:56:CYS:SG	unknown	unknown	n/a
1:57:CYS:SG	1:62:CYS:SG	unknown	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4159_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	387		100.0 (chain: 1, length: 66)
1	Chemical shift references	chemical_shift_reference_one	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 66, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 387
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	372	343	92.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	132	132	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	240	211	87.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	22	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	31	26	83.9

Keywords Long Neurotoxin 1, LSIII, NMR, nuclear magnetic resonance

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Found 1 Document (1.343 seconds)

BMRB: 4159

Sample

Related entities 1. Long Neurotoxin 1 (Component LSIII), : 1 : 1 : 197 entities Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail